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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Attosecond XUV probing of vibronic quantum superpositions in Br 2 +

Ultrafast laser excitation can create coherent superpositions of electronic states in molecules and trigger ultrafast flow of electron density on a few femtosecond timescale. While recent attosecond experiments have addressed real-time observation of these primary photochemical processes, the underlying roles of simultaneous nuclear motions and how they modify and disturb the valence electronic motion remain uncertain. In this work, we investigate coherent electronic-vibrational dynamics induced among multiple vibronic levels of ionic bromine (Br 2 + ), including both spin-orbit (X 2 Π 3/2,g – X 2 Π 1/2,g ) and valence (A 2 Π 3/2,u – 4 Σ 3/2,u ) electronic superpositions, using attosecond transient absorption spectroscopy. Decay, revival, and apparent frequency shifts of electronic coherences are measured via characteristic quantum beats on the Br-3d core-level absorption signals. Quantum-mechanical simulations attribute the observed electronic decoherence to broadened phase distributions of nuclear wave packets on anharmonic potentials. Molecular vibronic structure is further revealed to be imprinted as discrete progressions in electronic beat frequencies. These results provide a future basis to interpret complex charge-migration dynamics in polyatomic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Photoinduced anomalous Hall effect in two-dimensional transition metal dichalcogenides

A circularly polarized ac pump field illuminated near resonance on two-dimensional transition metal dichalcogenides (TMDs) produces an anomalous Hall effect in response to a dc bias field. In this work, we develop a theory for this photoinduced anomalous Hall effect in undoped TMDs irradiated by a strong coherent laser field. The strong field renormalizes the equilibrium bands and opens up a dynamical energy gap where single-photon resonance occurs. The resulting photon dressed states, or Floquet states, are treated within the rotating-wave approximation. A quantum kinetic equation approach is developed to study the nonequilibrium density matrix and time-averaged transport currents under the simultaneous influence of the strong ac pump field and the weak dc probe field. Dissipative effects are taken into account in the kinetic equation that captures relaxation and dephasing. The photoinduced longitudinal and Hall conductivities display notable resonant signatures when the pump field frequency reaches the spin-split interband transition energies. Rather than valley polarization, we find that the anomalous Hall current is mainly driven by the intraband response of photon-dressed electron populations near the dynamical gap at both valleys, accompanied by a smaller contribution due to the interband response. In conclusion, these findings highlight the importance of photon-dressed bands and nonequilibrium distribution functions in achieving a proper understanding of the photoinduced anomalous Hall effect in a strong pump field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Invariant-mass spectroscopy of 10 B, 11 C, 14 F, 16 F, and 18 Na

The invariant-mass method is used to study the structure of a number of light proton-rich isotopes utilizing fast beams. Reactions where the projectile picks up a proton have been used to study d-wave resonances in 14 F, 16 F, and 18 Na. While the 16 F and 18 Na results are consistent with previous studies, the 14 F results are not consistent with the only previous work. Here, we have tentatively identified the 4 + member of a rotational band in 10 B, which is the analog of well-known states with strong α-cluster structure in 10 Be and 10 C. Finally, spin and parities of newly observed states in 11 C which decay sequentially into three-body exit channels have been determined or restricted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Quantum field theory, worldline theory, and spin magnitude change in orbital evolution

A previous paper [Z. Bern et al., Binary dynamics through the fifth power of spin at 𝑂⁡(𝐺 2 ), Phys. Rev. Lett. 130, 201402 (2023)] identified a puzzle stemming from the amplitudes-based approach to spinning bodies in general relativity: additional Wilson coefficients appear compared to current worldline approaches to conservative dynamics of generic astrophysical objects, including neutron stars. In this paper we clarify the nature of analogous Wilson coefficients in the simpler theory of electrodynamics. We analyze the original field-theory construction, identifying definite-spin states some of which have negative norms, and relating the additional Wilson coefficients in the classical theory to transitions between different quantum spin states. We produce a new version of the theory which also has additional Wilson coefficients, but no negative-norm states. We match, through 𝒪⁡(𝛼 2 ) and 𝒪⁡(𝑆 2 ), the Compton amplitudes of these field theories with those of a modified worldline theory with extra degrees of freedom introduced by releasing the spin supplementary condition. We build an effective two-body Hamiltonian that matches the impulse and spin kick of the modified field theory and of the worldline theory, displaying additional Wilson coefficients compared to standard worldline approaches. The results are then compactly expressed in terms of an eikonal formula. Our key conclusion is that, contrary to standard approaches, while the magnitude of the spin tensor is still conserved, the magnitude of the spin vector can change under conserved Hamiltonian dynamics and this change is governed by the additional Wilson coefficients. For specific values of Wilson coefficients the results are equivalent to those from a definite spin obeying the spin supplementary condition, but for generic values they are physically inequivalent. These results warrant detailed studies of the corresponding issues in general relativity.

classical black holes↗
DOE OSTI2021

Phonon-Assisted Intervalley Scattering Determines Ultrafast Exciton Dynamics in MoSe 2 Bilayers

While valleys (energy extrema) are present in all band structures of solids, their preeminent role in determining exciton resonances and dynamics in atomically thin transition metal dichalcogenides (TMDC) is unique. Using two-dimensional coherent electronic spectroscopy, we find that exciton decoherence occurs on a much faster timescale in MoSe 2 bilayers than that in the monolayers. We further identify two population relaxation channels in the bilayer, a coherent and an incoherent one. Our microscopic model reveals that phonon-emission processes facilitate scattering events from the K valley to other lower-energy Γ and Λ valleys in the bilayer. Our combined experimental and theoretical studies unequivocally establish different microscopic mechanisms that determine exciton quantum dynamics in TMDC monolayers and bilayers. Understanding exciton quantum dynamics provides critical guidance to the manipulation of spin-valley degrees of freedom in TMDC bilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optimization of an electron injector for operating high-intensity polarized electron beam

In this work, the simulation and optimization of an electron injector that operates a high-intensity polarized electron beam are presented. The electron injector would provide a single-bunch electron beam at a repetition rate of 1 Hz with a bunch charge of 10 nC, kinetic energy of 400 MeV and an electron spin polarization of 85%. A direct current (DC) high-voltage photogun was employed to produce the 10 nC polarized electron beam with a kinetic energy of 350 keV, beam diameter of 1.44 cm (Gaussian distribution with σ of 0.36 cm) and full bunch length of 1.3 ns (Gaussian distribution with σ of 0.325 ns). The beam was compressed to 6 ps of RMS bunch length using one 114.24 MHz standing-wave sub-harmonic buncher, two 571.2 MHz standing-wave sub-harmonic bunchers and one 2.856 GHz traveling-wave buncher. The beam was accelerated finally to 400 MeV via eight 2.856 GHz traveling-wave Linacs. We performed the beam simulation, and the simulated results showed that the optimized RMS bunch length was 4.65 ps, RMS relative energy spread was 0.48% and normalized RMS transverse emittance was 30.13 mm · mrad at a beam energy of 400 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr 2 IrO 4

Here, we show how an accurate first-principles treatment of the canted-anti-ferromagnetic ground state of Sr 2 IrO 4 , a prototypical 5d correlated spin-orbit coupled material, can be obtained without invoking any free parameters, such as the Hubbard $\textit{U}$ or tuning the spin-orbit coupling strength. Our theoretically predicted iridium magnetic moment of 0.250$μ_B$, canted by 12.6° off the $\textit{a}$ axis, is in accord with experimental results. By resolving the magnetic moments into their spin and orbital components, we show that our theoretically obtained variation of the magnetic scattering amplitude $\langle M_m \rangle$ as a function of the polarization angle is consistent with recent nonresonant magnetic x-ray scattering measurements. The computed value of the band gap (55 meV) is also in line with the corresponding experimental values. A comparison of the band structure to that of the cuprates suggests the presence of incommensurate charge-density wave phases in Sr 2 IrO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Pion-nucleon scattering in baryon chiral perturbation theory combined with the 1/𝑁 𝑐 expansion

This work implements the combined baryon chiral perturbation theory (BChPT) and 1/𝑁 𝑐 expansions for pion-nucleon elastic scattering. The effective theory is based on the baryon sector dynamical spin-flavor 𝑆⁢𝑈⁡(4) symmetry emergent in the large 𝑁 𝑐 limit, whose breaking is controlled by the 1/𝑁 𝑐 expansion. The noncommutativity of the chiral and 1/𝑁 𝑐 expansions in unitarity corrections (loops) requires a linking of both expansions. As it was shown in the case of baryon masses and currents, the natural linking is the 𝜉 expansion, in which 𝒪⁡(𝑝) = 𝒪⁡(1/𝑁 𝑐 ) = 𝒪⁡(𝜉). The spin-flavor symmetry requires that the ground state baryons span an 𝑆⁢𝑈⁡(4) symmetric irreducible representation which implies that in particular 𝑁 and Δ are active degrees of freedom in the effective theory. The scattering amplitude is expanded to the next-to-next-to leading order in the 𝜉 expansion, corresponding to the one-loop contributions with the leading-order Lagrangian. The results are given for generic 𝑁 𝑐 in order to demonstrate the consistency of the framework. The spin-flavor symmetry plays a central role in maintaining the consistency of the effective theory with respect to the 1/𝑁 𝑐 expansion. This consistency manifests itself in an improvement in the convergence of the low energy expansion with respect to the case of the ordinary BChPT without an explicit dynamical Δ, which is known to be inconsistent with the constraints of 𝑁 𝑐 scaling. Fits to the 𝜋⁢𝑁 → 𝜋⁢𝑁, 𝑆, 𝑃, and 𝐷 partial wave amplitudes from the SAID data base are finally used to test the framework and to determine the energy range of its applicability.

Jayakodige, D. [Hampton Univ., Hampton, VA (United↗
DOE OSTI2025

Lorentzian OPE inversion formula: A geometric perspective

We give a new perspective on the Lorentzian operator product expansion inversion formula [S. Caron-Huot, Analyticity in spin in conformal theories, .; D. Simmons-Duffin, D. Stanford, and E. Witten, A spacetime derivation of the Lorentzian OPE inversion formula, .], building on [P. Agarwal , companion paper, Embedding space approach to Lorentzian CFT amplitudes and causal spherical functions, .]. We introduce an “auxiliary” fourpoint function that can be related to the traditionally defined ones via a Radon transform. The Mellin amplitudes associated with this auxiliary function can be shown to be equivalent to the conventional partial wave amplitudes. This has the intuitive geometrical meaning of a generalization of the projection-slice theorem. Published by the American Physical Society 2025

Agarwal, Pulkit (ORCID:0000000346581691)↗
DOE OSTI2021

Magnetic structure of triangular lattice compound Tb2Ni0.90Si2.94

AlB 2 -type ternary intermetallic compound Tb 2 Ni 0.90 Si 2.94 (space group P 6=mmm, hP 3, No. 191) was reported to exhibit spin freezing behaviour of the ferromagnetic clusters present in the system below T f = 9:9 K, along with the presence of spatially limited antiferromagnetic phase. In this work, on the basis of variable temperature zero-field neutron diffraction measurements, we have shown that the antiferromagnetic phase transition occurs for the compound below T N ~13 K. Neutron diffraction study indicates ab-plane non-collinear sine-modulated antiferromagnetic ordering of the system with wave vectors of k 1 = [±1/6, ±1/6, 0] and k 2 = [±1/3, ±1/3, 0] down to 1.7 K. The weak and diffuse nature of the magnetic Bragg peaks along with limited coherence length further confirm the short-range nature of the antiferromagnetic phase in this compound.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Energy-Resolved Information Scrambling in Energy-Space Lattices

Here, weakly interacting Fermi gases simulate spin lattices in energy space, offering a rich platform for investigating information spreading and spin coherence in a large many-body quantum system. We show that the collective spin vector can be determined as a function of energy from the measured spin density, enabling general energy-space resolved protocols. We measure an out-of-time-order correlation function in this system and observe the energy dependence of the many-body coherence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

GW190425: Observation of a Compact Binary Coalescence with Total Mass ~ 3.4 M ⊙

On 2019 April 25, the LIGO Livingston detector observed a compact binary coalescence with signal-to-noise ratio 12.9. The Virgo detector was also taking data that did not contribute to detection due to a low signal-to-noise ratio, but were used for subsequent parameter estimation. The 90% credible intervals for the component masses range from 1.12 to 2.52 M ⊙ (1.46-1.87 M ⊙ if we restrict the dimensionless component spin magnitudes to be smaller than 0.05). These mass parameters are consistent with the individual binary components being neutron stars. However, both the source-frame chirp mass 1.44 +0.02 -0.02 M ⊙ and the total mass 3.4 +0.3 -0.1 M ⊙ of this system are significantly larger than those of any other known binary neutron star (BNS) system. The possibility that one or both binary components of the system are black holes cannot be ruled out from gravitational-wave data. We discuss possible origins of the system based on its inconsistency with the known Galactic BNS population. Under the assumption that the signal was produced by a BNS coalescence, the local rate of neutron star mergers is updated to 250-2810 Gpc -3 yr -1 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Pair breaking in superconductors with strong spin-orbit coupling

Here we study the influence of symmetry-breaking perturbations on superconductivity in multiorbital materials, with a particular focus on an external magnetic field. We introduce the field-fitness function which characterizes the pair-breaking effects of the perturbation on a given superconducting state. For even-parity superconductors we find that this field-fitness function for an external magnetic field is one, implying that the paramagnetic response is controlled only by a generalized effective g factor. For odd-parity superconductors, the interplay of the effective g factor and the field-fitness function can lead to counterintuitive results. We demonstrate this for p-wave pairing in the effective j = $\frac{3}{2}$ electronic states of the Luttinger-Kohn model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Relativistic spin dynamics for vector mesons

We propose a relativistic theory for spin density matrices of vector mesons based on Kadanoff-Baym equations in the closed-time-path formalism. The theory puts the calculation of spin observables such as the spin density matrix element ρ 00 for vector mesons on a solid ground. Within the theory we formulate ρ 00 for ϕ mesons into a factorization form in separation of momentum and spacetime variables. We argue that the main contribution to ρ 00 at lower energies should be from the ϕ fields that can polarize the strange quark and antiquark in the same way as electromagnetic fields. The key observation is that there is correlation inside the ϕ meson wave function between the ϕ field that polarizes the strange quark and that polarizes the strange antiquark. This is reflected by the fact that the contributions to ρ 00 are all in squares of fields that are nonvanishing even if the fields may strongly fluctuate in spacetime. The fluctuation of strong force fields can be extracted from ρ 00 of unflavored vector mesons as links to fundamental properties of quantum chromodynamics. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Magnetization dynamics fingerprints of an excitonic condensate t 2 g 4 magnet

The competition between spin-orbit coupling (SOC) λ and electron-electron interaction U leads to a plethora of novel states of matter, extensively studied in the context of t 2 g 4 and t 2 g 5 materials, such as ruthenates and iridates. Excitonic magnets—the antiferromagnetic state of bounded electron-hole pairs-are prominent examples of phenomena driven by those competing energy scales. Interestingly, recent theoretical studies predicted that excitonic magnets can be found in the ground state of SOC t 2 g 4 Hubbard models. Here we present a detailed computational study of the magnetic excitations in that excitonic magnet, employing one-dimensional chains (via density matrix renormalization group) and small two-dimensional clusters (via Lanczos). Specifically, first we show that the low-energy spectrum is dominated by a dispersive (acoustic) magnonic mode, with extra features arising from the λ = 0 state in the phase diagram. Second, and more importantly, we found a novel magnetic excitation forming a high-energy optical mode with the highest intensity at wave-vector q → 0 . In the excitonic condensation regime at large U , we also have found a novel high-energy π mode composed solely of orbital excitations. Overall, these features do not appear all together in any of the neighboring states in the phase diagram and thus constitute unique fingerprints of the t 2 g 4 excitonic magnet, of importance in the analysis of neutron and resonant inelastic x-ray scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A Celestial route to AdS bulk locality

We prove a precise form of AdS bulk locality by deriving analytical two-sided bounds on bulk Wilson coefficients. Our bounds are on the Wilson coefficients themselves, rather than their ratios, as is typically found in the literature. Inspired by the Celestial amplitudes program in flat space, we perform a Celestial transform of the CFT Mellin amplitude of four identical scalars. Using the crossing symmetric dispersion relation (CSDR), we express the resulting amplitude in terms of crossing symmetric conformal partial waves. The partial waves satisy remarkable positivity properties which along with the unitarity of the CFT prove sufficient to derive the bounds. We then employ our methods in the limit of large AdS radius and recover known bounds on flat space Wilson coefficients and new bounds on their large radius corrections. We check that the planar Mellin amplitude of four stress-tensor multiplets in $\mathcal{N}$ = 4 SYM satisfies our bounds. Finally, using null constraints, we derive a form of low-spin dominance in AdS EFTs. We find that the low-spin dominance is strongest in flat space and weakens as we move away from flat space towards higher AdS curvature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Improved $^{95}\mathrm{Mo}$ neutron resonance parameters and astrophysical reaction rates

We report improved 95 Mo neutron resonance parameters and reaction rates are important for nuclear astrophysics, testing nuclear models, and nuclear criticality safety. However, despite many previous neutron-capture and total cross-section measurements on this nuclide, there still is much room for improvement as well as several discrepancies. For example, there are very few firm resonance spin and parity assignments; average resonance parameters are available only for each parity, the currently recommended astrophysical reaction rate results in disagreements between stellar models and meteoric isotopic anomalies, and there are substantial disagreements in the neutron-capture cross section at low energies important for nuclear criticality safety. To obtain an improved set of neutron resonance parameters and astrophysical reaction rates for 95 Mo. High-resolution neutron-capture and transmission data were measured at the Oak Ridge Electron Linear Accelerator (ORELA) using highly isotopically enriched 95 Mo samples. The neutron-capture apparatus, data reduction, and analysis were improved so that information contained in the γ-ray cascade following neutron capture were used to assign resonance J π values. Following this, simultaneous analysis of the new neutron-capture and transmission data was used to obtain resonance energies, gamma widths, and neutron widths and their uncertainties to a maximum energy of 10 keV. Accurate neutron-capture cross sections also were obtained for the unresolved resonance region to a maximum energy of 500 keV and, together with the new resonance parameters, used to calculate the astrophysical reaction rates in the temperature range from 5 to 30 keV. A vastly improved set of 95Mo neutron resonance parameters and an astrophysical reaction rate accurate to about 3% were obtained. Firm J π assignments were determined for 261 of the 314 observed resonances. This is a very large improvement over the previously published 32 firm J π assignments for 108 resonances. Also, the number of resonances having both firm J π assignments and Γ γ values was increased by almost a factor of 24—from 11 to 261. Neutron- and total-radiation-width distributions and average resonance spacings, average total radiation widths, and neutron strength functions were obtained for the six different s- and p-wave possibilities. Parameters for the lowest s-wave resonance, which is most important for criticality benchmarks, were obtained with high accuracy. Simple modification of the neutron-capture apparatus and expansion and improvement of data analysis techniques led to a large increase in firm J π assignments for 95 Mo neutron resonances. The resulting astrophysical reaction rate is 20%–30% larger than the currently recommended rate at s-process temperatures, which should lead to better agreement between stellar models and meteoric isotopic anomalies. The neutron-capture cross section at low energies is substantially larger than recommended in the latest evaluation, which is problematical for criticality benchmarks. The average resonance spacing as a function of spin and parity is significantly different from current models. The total-radiation-width distributions are significantly broader than predicted by theory and show significant departures from the expected Gaussian shapes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Room-temperature polariton quantum fluids in halide perovskites

Abstract Quantum fluids exhibit quantum mechanical effects at the macroscopic level, which contrast strongly with classical fluids. Gain-dissipative solid-state exciton-polaritons systems are promising emulation platforms for complex quantum fluid studies at elevated temperatures. Recently, halide perovskite polariton systems have emerged as materials with distinctive advantages over other room-temperature systems for future studies of topological physics, non-Abelian gauge fields, and spin-orbit interactions. However, the demonstration of nonlinear quantum hydrodynamics, such as superfluidity and Čerenkov flow, which is a consequence of the renormalized elementary excitation spectrum, remains elusive in halide perovskites. Here, using homogenous halide perovskites single crystals, we report, in both one- and two-dimensional cases, the complete set of quantum fluid phase transitions from normal classical fluids to scatterless polariton superfluids and supersonic fluids—all at room temperature, clear consequences of the Landau criterion. Specifically, the supersonic Čerenkov wave pattern was observed at room temperature. The experimental results are also in quantitative agreement with theoretical predictions from the dissipative Gross-Pitaevskii equation. Our results set the stage for exploring the rich non-equilibrium quantum fluid many-body physics at room temperature and also pave the way for important polaritonic device applications.

42 ENGINEERING↗